[(1S)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-dipropyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC(=C(C=C1)O)OCC

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC(=C(C=C1)O)OCC

InChI

InChI=1S/C16H28N2O2/c1-4-9-18(10-5-2)14(12-17)13-7-8-15(19)16(11-13)20-6-3/h7-8,11,14,19H,4-6,9-10,12,17H2,1-3H3/p+2/t14-/m1/s1